Structure of PDB 6kk8 Chain A Binding Site BS01

Receptor Information

>6kk8 Chain A (length=299) Species: 262724 (Thermus thermophilus HB27)

MFLRIDRLQIELPMPKEQDPNAAAAVQALLGGRFGEMSTLMNYMYQSFNF
RGKKALKPYYDLIANIATEELGHIELVAATINSLLAKNPGKDLEEGVDPA
STPLGFAKDVRNAAHFIAGGANSLVMGAMGEHWNGEYVFTSGNLILDLLH
NFFLEVAARTHKLRVYEMTDNPVAREMIGYLLVRGGVHAAAYGKALESLT
GVEMTKMLPIPKIDNSKIPEAKKYMDLGFHRNLYRFSPEDYRDLGLIWKG
ASPEDGTEVVVVDGPPTGGPVFDAGHDAAEFAPEFHPGELYEIAKKLYE

Ligand information

• Ligand ID: MN3
• InChI: InChI=1S/Mn/q+3
• InChIKey: MMIPFLVOWGHZQD-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Mn+3]
• Formula: Mn
• Name: MANGANESE (III) ION
• PDB chain: 6kk8 Chain A Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6kk8 Single-crystal time-of-flight neutron Laue methods: application to manganese catalase from Thermus thermophilus HB27
• Resolution: 1.37 Å
• Binding residue (original residue number in PDB): E70 E155 H188
• Binding residue (residue number reindexed from 1): E70 E155 H188
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E36 E70 H73 E155 G185 H188
• Catalytic site (residue number reindexed from 1): E36 E70 H73 E155 G185 H188
• Enzyme Commision number: 1.11.1.6: catalase.

Gene Ontology

Molecular Function

• GO:0004096 catalase activity
• GO:0004601 peroxidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0098869 cellular oxidant detoxification

External links

• PDB: RCSB:6kk8, PDBe:6kk8, PDBj:6kk8
• PDBsum: 6kk8
• UniProt: Q72GH6